methyl 5-aminocarbonyl-4-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate

Systemtic Name: methyl 5-aminocarbonyl-4-methyl-2-[2-(4-methylpiperidin-1-ium-1-yl)ethanoylamino]thiophene-3-carboxylate Openeye Name: methyl 5-carbamoyl-4-methyl-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate CAS Name: 5-carbamoyl-4-methyl-2-[[2-(4-methyl-1-piperidin-1-iumyl)-1-oxoethyl]amino]-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 5-carbamoyl-4-methyl-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylate Traditional Name: 5-carbamoyl-4-methyl-2-[[2-(4-methylpiperidin-1-ium-1-yl)acetyl]amino]thiophene-3-carboxylic acid methyl ester Formula: C16H24N3O4S+ MolecularWeight: 354.44446

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC

Isomeric SMILES

CC1CC[NH+](CC1)CC(=O)NC2=C(C(=C(S2)C(=O)N)C)C(=O)OC

InChI

InChI=1S/C16H23N3O4S/c1-9-4-6-19(7-5-9)8-11(20)18-15-12(16(22)23-3)10(2)13(24-15)14(17)21/h9H,4-8H2,1-3H3,(H2,17,21)(H,18,20)/p+1